CYANA Command: atoms list: Difference between revisions
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== Parameters == | == Parameters == | ||
; selection='' | ; selection=''[[atom selection]]'': (default: ''none'') | ||
== Description == | == Description == | ||
List properties of the selected atoms. By default, the selection made in the most recent [[CYANA Commands: atoms select|'''atoms select''']] command is used, or all atoms if no selection has been made so far. The following properties are listed: | |||
select''' command is used, or all atoms if no selection has been made | |||
so far. | |||
* Atom name | * Atom name | ||
| Line 17: | Line 12: | ||
* Residue number | * Residue number | ||
* Original atom name in the library, if different from the current name used | * Original atom name in the library, if different from the current name used | ||
* Name of the diastereotopic partner atom, if present | * Name of the diastereotopic partner atom, if present (isopropyl methyl hydrogens are listed in parentheses) | ||
* Name of the corresponding pseudo atom, if present | * Name of the corresponding pseudo atom, if present | ||
* Name of the corresponding heavy atom, for hydrogens and pseudo atoms | * Name of the corresponding heavy atom, for hydrogens and pseudo atoms | ||
* Radius for steric repusion ( | * Radius for steric repusion (Å) | ||
* Mass used in torsion angle dynamics | * Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used) | ||
* Chemical shift value in the first chemical shift list, if present | * Chemical shift value in the first chemical shift list, if present | ||
* Constant for NOE upper distance bound calibration | * Constant for NOE upper distance bound calibration | ||
Latest revision as of 10:49, 13 August 2009
Parameters
- selection=atom selection
- (default: none)
Description
List properties of the selected atoms. By default, the selection made in the most recent atoms select command is used, or all atoms if no selection has been made so far. The following properties are listed:
- Atom name
- Residue name
- Residue number
- Original atom name in the library, if different from the current name used
- Name of the diastereotopic partner atom, if present (isopropyl methyl hydrogens are listed in parentheses)
- Name of the corresponding pseudo atom, if present
- Name of the corresponding heavy atom, for hydrogens and pseudo atoms
- Radius for steric repusion (Å)
- Mass used in torsion angle dynamics (not relevant if the standard “cluster masses” are used)
- Chemical shift value in the first chemical shift list, if present
- Constant for NOE upper distance bound calibration